2-[2-(3-oxidanylidenebutanoylamino)ethanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[2-(3-oxidanylidenebutanoylamino)ethanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-(3-oxobutanoylamino)acetyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-(1,3-dioxobutylamino)-1-oxoethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-(3-oxobutanoylamino)acetyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-(acetoacetylamino)acetyl]amino]-3-mercapto-propionic acid Formula: C9H14N2O5S MolecularWeight: 262.28286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NCC(=O)NC(CS)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)NCC(=O)NC(CS)C(=O)O

InChI

InChI=1S/C9H14N2O5S/c1-5(12)2-7(13)10-3-8(14)11-6(4-17)9(15)16/h6,17H,2-4H2,1H3,(H,10,13)(H,11,14)(H,15,16)